Debug Info

object
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_id
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LgoA1vsJeFI
spectrumID
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LgoA1vsJeFI
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specType
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131072
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WMS3X:280990:1
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MS (GC)
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Mass Spectrum (GC)
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compound
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1-(Methoxycarbonyl)-2-(4-nitrophenyl)-1,2,3,4-tetrahydropyridine
SpectraBase Compound ID CCoGIKwBS1W
InChI InChI=1S/C13H14N2O4/c1-19-13(16)14-9-3-2-4-12(14)10-5-7-11(8-6-10)15(17)18/h3,5-9,12H,2,4H2,1H3
InChIKey SHUUHSNVCPGLIS-UHFFFAOYSA-N
Mol Weight 262.26 g/mol
Molecular Formula C13H14N2O4
Exact Mass 262.095357 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgoA1vsJeFI
Name 1-(methoxycarbonyl)-2-(4-nitrophenyl)-1,2,3,4-tetrahydropyridine
CAS Registry Number 125593-00-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O4
InChI InChI=1S/C13H14N2O4/c1-19-13(16)14-9-3-2-4-12(14)10-5-7-11(8-6-10)15(17)18/h3,5-9,12H,2,4H2,1H3
InChIKey SHUUHSNVCPGLIS-UHFFFAOYSA-N
Molecular Weight 262.265 g/mol
SMILES C(N1C(c2ccc(N(=O)=O)cc2)CCC=C1)(=O)OC
SPLASH splash10-0i2c-5950000000-0bbc1b7a1d5ba7098c2e
Source of Spectrum J-55-2468-4
Synonyms Methyl 2-(4-nitrophenyl)-3,4-dihydro-1(2H)-pyridinecarboxylate
Wiley ID 1265589
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